| SpectraBase Compound ID | F3JAodIvCeA |
|---|---|
| InChI | InChI=1S/C9H8BrNO3/c10-7-3-1-6(2-4-7)9(14)11-5-8(12)13/h1-4H,5H2,(H,11,14)(H,12,13) |
| InChIKey | PTMXKRQZWGCWGZ-UHFFFAOYSA-N |
| Mol Weight | 258.07 g/mol |
| Molecular Formula | C9H8BrNO3 |
| Exact Mass | 256.968756 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | GpgtcqbdXEo |
|---|---|
| Name | p-Bromohippuric acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 256.968756119 u |
| Formula | C9H8BrNO3 |
| InChI | InChI=1S/C9H8BrNO3/c10-7-3-1-6(2-4-7)9(14)11-5-8(12)13/h1-4H,5H2,(H,11,14)(H,12,13) |
| InChIKey | PTMXKRQZWGCWGZ-UHFFFAOYSA-N |
| Molecular Weight | 258.071 g/mol |
| SMILES | N(C(C1=CC=C(C=C1)Br)=O)CC(O)=O |
| Spectrum/Structure Validation Score (Raman) | 0.844755 |